9LD5

Crystal structure of LSSmOrange under cryogenic temperature at pH 8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	39.270, 85.050, 41.710
Unit cell angles	90.00, 116.20, 90.00

Refinement procedure

Resolution	42.520 - 1.900
R-factor	0.1786
Rwork	0.177
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q7r
RMSD bond length	0.006
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.520	2.020
High resolution limit [Å]	1.900	1.900
Number of reflections	19406	3256
<I/σ(I)>	10.04	1.14
Completeness [%]	99.9	99.9
Redundancy	27.28	25.24
CC(1/2)	0.995	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	293	0.1 M Tris-HCl pH 8.0, 28% (w/v) PEG 3350, 0.6 M NaCl